SCHEMBL1337699

SCHEMBL1337699

COc1ccc2nc(C=O)ccc2c1I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
TDO2 P48775 1/20 0.36
S1PR4 O95977 1/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CCR1 P32246 1/20 0.35
TSHR P16473 2/20 0.35
PRKDC P78527 1/20 0.34
GLA P06280 1/20 0.34
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
PDE10A Q9Y233 1/20 0.34
F2R P25116 2/20 0.34
APP P05067 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12132125 0.83 ALDH1A1 (0.39) ALDH1A1TDO2MAPTMEN1KMT2A
SCHEMBL1336740 0.81 F2R (0.46) ALDH1A1TDO2S1PR4MAPTMEN1
SCHEMBL1336684 0.81 PRKDC (0.41) ALDH1A1TDO2MAPTMEN1KMT2A
SCHEMBL1337889 0.78 MEN1 (0.49) ALDH1A1MAPTMEN1KMT2APRKDC
SCHEMBL28449950 0.78 PDE10A (0.51) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1338034 0.77 POLB (0.44) ALDH1A1TDO2MEN1KMT2ATSHR
SCHEMBL8825242 0.76 S1PR4 (0.50) ALDH1A1S1PR4MAPTCCR1TSHR
SCHEMBL1337920 0.75 F2R (0.39) ALDH1A1TDO2MAPTMEN1KMT2A
SCHEMBL1337297 0.72 PDE3B (0.46) ALDH1A1KDM4ENPC1POLB
SCHEMBL12132144 0.71 TDO2 (0.32) ALDH1A1TDO2S1PR4MAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275643-A1 AROYLQUINOLINE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-11-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110275643-A1 AROYLQUINOLINE COMPOUNDS TUBA1C, TUBB1, TUBB3 ALDH1A1 657/4885TDO2 3895/4885S1PR4 4283/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.